2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-3-methyl-butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19)16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)